2-butyl-5-(cyanomethyl)-4-nitro-benzenecarbonitrile

Systemtic Name: 2-butyl-5-(cyanomethyl)-4-nitro-benzenecarbonitrile Openeye Name: 2-butyl-5-(cyanomethyl)-4-nitro-benzonitrile CAS Name: 2-butyl-5-(cyanomethyl)-4-nitrobenzonitrile IUPAC Name: 2-butyl-5-(cyanomethyl)-4-nitrobenzonitrile Traditional Name: 2-butyl-5-(cyanomethyl)-4-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1C#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1C#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2/c1-2-3-4-10-8-13(16(17)18)11(5-6-14)7-12(10)9-15/h7-8H,2-5H2,1H3